![N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide structure](/static/products/4159/415919-41-4.webp)
N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide
TL;DR: N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide (CAS 415919-41-4) is a chemical compound with molecular formula C12H12N2O6S6 and molecular weight 471.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dithiol-2-ylidene)oxamide
Also Known As: N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide, N,N'-bis(3,3-dioxo-3$l^{6},6,8-trithiabicyclo[3.3.0]oct-7-ylidene)oxamide, N,N'-bis(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dithiol-2-ylidene)oxamide, 5-[4-(5,5-dioxo(1,3,4,6,3a,6a-hexahydro-1,3,5-trithiapentalen-2-ylidene))-2,3- dioxo-1,4-diazabutylidene]-1,3,4,6,3a,6a-hexahydro-2,4,6-trithiapentalene-2,2- dione, N~1~,N~2~-Bis(5,5-dioxotetrahydro-2H,3aH-5lambda~6~-thieno[3,4-d][1,3]dithiol-2-ylidene)ethanediamide
| Molecular Formula | C12H12N2O6S6 |
|---|---|
| Molecular Weight | 471.90 g/mol |
| LogP | 0.0428 |
| Topological Polar Surface Area | 127.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 471.90198 |
| Heavy Atoms | 26 |
| Complexity | 832.69507 |
Chemical Identifiers
| CAS Number | 415919-41-4 |
|---|---|
| SMILES | C1C2C(CS1(=O)=O)SC(=NC(=O)C(=O)N=C3SC4CS(=O)(=O)CC4S3)S2 |
Product Overview
N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide (CAS 415919-41-4), with molecular formula C12H12N2O6S6 and molecular weight 471.90 g/mol. IUPAC: N,N'-bis(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dithiol-2-ylidene)oxamide.
Chemical Property Profile of N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide
Property Insights of N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide
The XLogP value of 0.0428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide. The TPSA of 127.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide. Following Lipinski's Rule of Five, N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide?
The CAS number of N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide is 415919-41-4.
What is the molecular formula of N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide?
The molecular formula of N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide is C12H12N2O6S6.
What is the molecular weight of N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide?
The molecular weight of N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide is 471.90 g/mol.
Where can I buy N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide?
You can request a quote for N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide?
Yes, KEHONG BIO provides custom synthesis services for N1,N2-Bis(tetrahydro-5,5-dioxidothieno[3,4-d]-1,3-dithiol-2-ylidene)ethanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.